1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide

C16H21ClN2O4S — CID 6460572

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H21ClN2O4S/c1-23-14-5-2-12(17)10-15(14)24(21,22)19-8-6-11(7-9-19)16(20)18-13-3-4-13/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,18,20)
InChIKeyIOCPATMWFRIWSD-UHFFFAOYSA-N
MW372.87 g/mol
LogP2.03
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 6460572) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
PubChem CID6460572
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H21ClN2O4S/c1-23-14-5-2-12(17)10-15(14)24(21,22)19-8-6-11(7-9-19)16(20)18-13-3-4-13/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,18,20)
InChIKeyIOCPATMWFRIWSD-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide (CID 6460572) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is IOCPATMWFRIWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-23-14-5-2-12(17)10-15(14)24(21,22)19-8-6-11(7-9-19)16(20)18-13-3-4-13/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,18,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 372.87 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 6460572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).